(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide

C19H27N3O2 — CID 51725598

IUPAC(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N2CCc3ccccc32)C1
InChIInChI=1S/C19H27N3O2/c1-14(22-11-9-16-6-3-4-8-18(16)22)12-20-19(24)17-7-5-10-21(13-17)15(2)23/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H,20,24)/t14-,17-/m0/s1
InChIKeyQLLOYVFIKFVTIH-YOEHRIQHSA-N
MW329.44 g/mol
LogP1.81
Rot. Bonds4

About (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 51725598) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID51725598
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N2CCc3ccccc32)C1
InChIInChI=1S/C19H27N3O2/c1-14(22-11-9-16-6-3-4-8-18(16)22)12-20-19(24)17-7-5-10-21(13-17)15(2)23/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H,20,24)/t14-,17-/m0/s1
InChIKeyQLLOYVFIKFVTIH-YOEHRIQHSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119856800
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030578
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
N-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-3-carboxamide;dihydrochloride
CID 119856776
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38314037

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide (CID 51725598) is (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N2CCc3ccccc32)C1.
What is the InChIKey of (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is QLLOYVFIKFVTIH-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(22-11-9-16-6-3-4-8-18(16)22)12-20-19(24)17-7-5-10-21(13-17)15(2)23/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H,20,24)/t14-,17-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 51725598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).